GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 543
TrivialName 3-O-{β-D-xylopyranosyl(1→3)-[α-l-arabinofuranosyl(1→4)]-β-D-glucopyranosyl}oleanolic acid 28-O-β-D-glucopyranosyl ester
Type Miscellaneous
MF C₅₂H₈₄O₂₁
MolecularWeight 1045.223
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES C[C@@]12C(CC[C@]3(C)C2CC=C4[C@@]3(C)CC[C@]5(C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)=O)C4CC(C)(C)CC5)C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@H](CO)O8)[C@@H](CO)O7)CC1
Canonical SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Source PB
Functions anticancer; anti-inflammatory;
Year 2020
References

Tung et al. (2020)

Structure 3-O-{β-D-xylopyranosyl(1→3)-[α-l-arabinofuranosyl(1→4)]-β-D-glucopyranosyl}oleanolic acid 28-O-β-D-glucopyranosyl ester